SCHEMBL4606116

SCHEMBL4606116

CSc1nsc(-c2cccc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHFR P00374 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CFTR P13569 1/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
CYP19A1 P11511 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
AURKA O14965 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4607588 0.81 KDM4E (0.43) KMT2AKDM4ESMN1; SMN2HSD17B1HSD17B2
SCHEMBL4605489 0.80 ADORA3 (0.53) KMT2ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL25200997 0.76 HSD17B1 (0.42) KMT2AKDM4ENPC1POLBRAB9A
SCHEMBL4605302 0.73 KMT2A (0.44) KMT2ANPC1POLBRAB9ASMN1; SMN2
SCHEMBL4605715 0.71 HSP90AA1 (0.49) KMT2ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL5592931 0.70 KDM4E (0.52) KMT2ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL5378057 0.69 KDM4E (0.46) KMT2ACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL25957505 0.69 DCUN1D1 (0.66) KDM4ENPC1POLBRAB9AAURKA
SCHEMBL11185290 0.68 KDM4E (0.43) CYP1A2CYP2C9CYP2C19KDM4ENPC1
SCHEMBL11114941 0.68 ALDH1A1 (0.62) CYP1A2CYP2C9CYP2C19KDM4EL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1574505-B1 1,2,4-THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
US-7361675-B2 1,2,4-thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-04-22 US disclosed
US-20060167266-A1 1,2,4- thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-27 US disclosed
EP-1574505-A1 1,2,4-THIADIAZOLE COMPOUNDS AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-09-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060167266-A1 1,2,4- thiadiazole compounds and use thereof CBR3, CBR1, NOX3 KMT2A 4494/4885CYP1A2 208/4885CYP2C9 416/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.